tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate

C10H17NO3 — CID 10856475

IUPACtert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate
SMILESCC1=CCN(C(=O)OC(C)(C)C)OC1
InChIInChI=1S/C10H17NO3/c1-8-5-6-11(13-7-8)9(12)14-10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyPUOFUBJKAJKKKF-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.12
Rot. Bonds

About tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate

tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate (PubChem CID 10856475) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate
PubChem CID10856475
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate
SMILESCC1=CCN(C(=O)OC(C)(C)C)OC1
InChIInChI=1S/C10H17NO3/c1-8-5-6-11(13-7-8)9(12)14-10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyPUOFUBJKAJKKKF-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl oxaziridine-2-carboxylate
CID 87264596
tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate
CID 177234550
tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
tert-butyl 3,4-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123597908
tert-butyl 8-methyl-5-oxa-2-azaspiro[3.5]non-7-ene-2-carboxylate
CID 146273012
tert-butyl 2,5-dihydropyrrole-1-carboxylate;ethane
CID 143412058
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-4-carboxylic acid
CID 125452266
tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174476603
tert-butyl 3-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 58641264
tert-butyl (6S)-5,6-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154953281
tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate
CID 71578432
tert-butyl 3-pyrimidin-2-yl-2,5-dihydropyrrole-1-carboxylate
CID 153394118

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate?
The IUPAC name of tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate (CID 10856475) is tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate is CC1=CCN(C(=O)OC(C)(C)C)OC1.
What is the InChIKey of tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate?
The InChIKey is PUOFUBJKAJKKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8-5-6-11(13-7-8)9(12)14-10(2,3)4/h5H,6-7H2,1-4H3.
What are the key properties of tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate?
tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate is sourced from PubChem (CID 10856475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).